5-amino-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one

C7H9F3N4O — CID 137009211

IUPAC5-amino-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC(F)(F)F)c1nc[nH]c(=O)c1N
InChIInChI=1S/C7H9F3N4O/c1-14(2-7(8,9)10)5-4(11)6(15)13-3-12-5/h3H,2,11H2,1H3,(H,12,13,15)
InChIKeyYWAKLTKHRDYGMB-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.35
Rot. Bonds2

About 5-amino-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one

5-amino-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one (PubChem CID 137009211) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 5-amino-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
PubChem CID137009211
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name5-amino-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
SMILESCN(CC(F)(F)F)c1nc[nH]c(=O)c1N
InChIInChI=1S/C7H9F3N4O/c1-14(2-7(8,9)10)5-4(11)6(15)13-3-12-5/h3H,2,11H2,1H3,(H,12,13,15)
InChIKeyYWAKLTKHRDYGMB-UHFFFAOYSA-N
XLogP0.35
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-4-hydroxy-6-(methylamino)pyrimidine
CID 135500477
Pyrimidine, 2,4-diamino-1,6-dihydro-1-methyl-6-oxo-5-trifluoroacetamido-
CID 130154906
pyrimidine, 2,4-diamino-6-hydroxy-5-(N-methyl)trifluoroacetamido-
CID 137273006
5-Amino-6-(ethylamino)-4(3h)-pyrimidinone
CID 135786481
Pyrimidine, 4,5-bisethylamino-6-hydroxy-
CID 135814991
Pyrimidine, 4-amino-5-diethylamino-6-hydroxy-
CID 171384005
Pyrimidine, 5-diethylamino-4-ethylamino-6-hydroxy-
CID 171384170
5-amino-4-[2-aminoethyl(2,2-difluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728232
5-amino-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786689
5-amino-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819406
5-amino-4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136932130
4-[2,2-difluoroethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136958115

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one (CID 137009211) is 5-amino-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one is CN(CC(F)(F)F)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is YWAKLTKHRDYGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-14(2-7(8,9)10)5-4(11)6(15)13-3-12-5/h3H,2,11H2,1H3,(H,12,13,15).
What are the key properties of 5-amino-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 222.17 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137009211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).